8-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1,3,9-trimethyl-3,9-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1,3,9-trimethyl-3,9-dihydro-1H-purine-2,6-dione
8-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1,3,9-trimethyl-3,9-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | G856-8522 |
| Compound Name: | 8-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1,3,9-trimethyl-3,9-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 378.83 |
| Molecular Formula: | C16 H15 Cl N4 O3 S |
| Smiles: | CN1C(c2c(N(C)C1=O)n(C)c(n2)SCC(c1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8045 |
| logD: | 2.8045 |
| logSw: | -3.5147 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.287 |
| InChI Key: | NATWEFZTWMHLTM-UHFFFAOYSA-N |